#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p89 h ASN 26 N 0.00 0.00 -0.35 4.04 2.35 -1.92 -2.98 115.58 116.72 1p89 h ASN 26 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1p89 h ASN 26 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1p89 h ASN 26 CO 0.00 0.31 -0.10 0.03 -1.65 0.00 0.00 177.43 176.02 1p89 h ARG 27 N 0.00 0.69 -0.01 0.81 3.08 -1.99 -1.18 114.38 115.78 1p89 h ARG 27 Ca -0.03 -0.27 -0.18 0.00 0.07 0.00 0.00 59.98 59.57 1p89 h ARG 27 Cb 1.26 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1p89 h ARG 27 CO 0.04 0.86 -0.80 0.00 -1.07 0.00 0.00 179.97 179.00 1p89 h ALA 28 N 0.81 0.64 0.16 0.04 0.00 -1.98 -1.14 119.26 117.78 1p89 h ALA 28 Ca 0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1p89 h ALA 28 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1p89 h ALA 28 CO 0.04 0.90 -0.08 -0.07 0.00 0.00 0.00 179.25 180.04 1p89 h LEU 29 N 0.09 -0.18 0.29 0.00 3.38 -1.42 0.79 115.31 118.26 1p89 h LEU 29 Ca -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1p89 h LEU 29 Cb 1.40 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1p89 h LEU 29 CO 0.12 0.14 -0.14 0.25 0.09 0.00 0.00 178.44 178.90 1p89 h LEU 30 N -0.52 -0.33 -1.37 1.67 5.85 -1.28 0.55 115.31 119.88 1p89 h LEU 30 Ca -0.02 -0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.72 1p89 h LEU 30 Cb 0.40 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1p89 h LEU 30 CO 0.04 -0.03 0.57 -0.07 -0.34 0.00 0.00 178.44 178.60 1p89 h LEU 31 N -0.63 0.56 -0.30 2.25 3.38 -1.26 0.20 115.31 119.51 1p89 h LEU 31 Ca -0.04 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1p89 h LEU 31 Cb 0.45 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1p89 h LEU 31 CO 0.07 0.27 -0.84 0.00 0.09 0.00 0.00 178.44 178.02 1p89 h ALA 32 N 1.61 0.60 -0.11 1.53 0.00 -0.67 -2.55 119.26 119.67 1p89 h ALA 32 Ca 0.45 -0.77 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1p89 h ALA 32 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1p89 h ALA 32 CO -0.19 1.06 -0.49 0.00 0.00 0.00 0.00 179.25 179.62 1p89 h ALA 33 N 1.16 0.95 0.00 0.00 0.00 0.17 -2.89 119.26 118.65 1p89 h ALA 33 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p89 h ALA 33 Cb 1.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1p89 h ALA 33 CO 0.11 0.66 -0.56 1.28 0.00 0.00 0.00 179.25 180.74 1p89 n LEU 34 N -3.96 0.58 -4.90 0.00 4.77 -0.40 0.22 117.00 113.30 1p89 n LEU 34 Ca -0.02 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 1p89 n LEU 34 Cb 0.54 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1p89 n LEU 34 CO 0.43 0.03 0.70 0.00 -1.33 0.00 0.00 177.39 177.22 1p89 s ALA 35 N -3.09 2.95 -0.61 -1.18 0.00 -0.97 -3.26 121.76 115.61 1p89 s ALA 35 Ca 0.08 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1p89 s ALA 35 Cb 0.15 -2.89 0.15 0.00 0.00 0.00 0.00 23.12 20.53 1p89 s ALA 35 CO 0.70 -1.19 0.57 -1.01 0.00 0.00 0.00 175.76 174.84 1p89 s HIS 36 N -3.32 3.36 0.00 0.00 3.76 0.95 -0.57 115.29 119.47 1p89 s HIS 36 Ca 0.58 -1.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 1p89 s HIS 36 Cb -0.11 -3.81 0.00 0.00 1.11 0.00 0.00 32.58 29.77 1p89 s HIS 36 CO 0.49 -1.02 0.00 0.41 -0.85 0.00 0.00 174.74 173.77 1p89 n GLY 37 N 4.96 3.51 3.77 -2.22 0.00 -1.25 -3.10 105.19 110.85 1p89 n GLY 37 Ca -0.07 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 1p89 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p89 s LYS 38 N -4.77 4.27 0.09 1.61 2.20 -1.25 -2.65 119.74 119.23 1p89 s LYS 38 Ca 0.00 2.22 0.04 0.00 -0.36 0.00 0.00 55.97 57.87 1p89 s LYS 38 Cb 0.00 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1p89 s LYS 38 CO 0.00 -0.27 -0.10 0.99 -0.36 0.00 0.00 175.35 175.61 1p89 s THR 39 N -1.17 0.89 -0.07 3.43 2.01 0.13 -4.61 115.64 116.26 1p89 s THR 39 Ca 0.51 -1.55 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 1p89 s THR 39 Cb -0.40 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1p89 s THR 39 CO 0.53 -0.52 0.14 -0.69 -0.69 0.00 0.00 174.62 173.39 1p89 s VAL 40 N -2.25 5.36 -0.20 3.82 1.01 0.33 0.58 120.40 129.04 1p89 s VAL 40 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1p89 s VAL 40 Cb -0.04 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1p89 s VAL 40 CO 0.00 0.49 -0.03 -1.48 0.00 0.00 0.00 175.10 174.08 1p89 s LEU 41 N -1.43 1.88 0.36 3.92 2.34 0.30 0.11 118.68 126.16 1p89 s LEU 41 Ca 0.20 -0.91 0.05 0.00 0.06 0.00 0.00 54.13 53.53 1p89 s LEU 41 Cb -0.12 -0.93 -0.01 0.00 -0.56 0.00 0.00 46.19 44.57 1p89 s LEU 41 CO 0.10 -0.24 0.52 0.28 -1.06 0.00 0.00 176.35 175.96 1p89 s THR 42 N 1.60 4.14 -1.75 5.48 -1.32 0.97 -0.64 115.64 124.12 1p89 s THR 42 Ca -0.02 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1p89 s THR 42 Cb -0.17 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 1p89 s THR 42 CO -0.07 -0.22 0.00 -3.20 -2.21 0.00 0.00 174.62 168.92 1p89 n ASN 43 N -1.75 -5.14 -4.68 8.08 5.15 0.37 -0.71 115.26 116.58 1p89 n ASN 43 Ca -0.00 0.28 -0.35 0.00 -0.60 0.00 0.00 54.58 53.91 1p89 n ASN 43 Cb 0.58 -4.20 0.10 0.00 -0.53 0.00 0.00 39.78 35.73 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1p89 n LEU 44 N -2.18 4.56 -4.61 1.20 7.94 0.10 -4.45 117.00 119.56 1p89 n LEU 44 Ca -0.19 0.67 -0.43 0.00 -1.11 0.00 0.00 56.01 54.96 1p89 n LEU 44 Cb 0.61 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 1p89 n LEU 44 CO 0.26 -1.62 0.80 -0.22 -1.11 0.00 0.00 177.39 175.50 1p89 s LEU 45 N -4.56 3.97 -1.41 -1.96 2.96 -1.26 -4.37 118.68 112.05 1p89 s LEU 45 Ca 0.76 0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 55.15 1p89 s LEU 45 Cb -0.33 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1p89 s LEU 45 CO 0.48 -0.89 2.29 -0.67 -1.32 0.00 0.00 176.35 176.25 1p89 n ASP 46 N 6.85 4.39 -0.59 3.68 -0.08 -1.25 -4.60 116.55 124.96 1p89 n ASP 46 Ca 0.08 -2.78 0.00 0.00 -1.51 0.00 0.00 54.79 50.58 1p89 n ASP 46 Cb 0.48 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.35 1p89 n ASP 46 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p89 n SER 47 N 5.87 1.00 0.02 1.67 7.64 -1.26 -5.06 113.62 123.50 1p89 n SER 47 Ca 0.55 -0.39 0.10 0.00 1.01 0.00 0.00 58.87 60.14 1p89 n SER 47 Cb 0.37 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.44 1p89 n SER 47 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p89 n ASP 48 N -0.78 0.25 0.15 6.43 2.03 -1.26 -3.43 116.55 119.94 1p89 n ASP 48 Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1p89 n ASP 48 Cb 0.00 1.51 0.24 0.00 -0.72 0.00 0.00 41.12 42.15 1p89 n ASP 48 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1p89 h ASP 49 N 0.00 0.01 0.00 1.67 5.19 -1.92 -2.64 116.42 118.72 1p89 h ASP 49 Ca -0.02 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1p89 h ASP 49 Cb 1.05 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1p89 h ASP 49 CO 0.00 0.53 -0.28 0.58 -3.12 0.00 0.00 179.24 176.95 1p89 h VAL 50 N 0.00 0.79 -0.74 -1.35 2.07 -1.82 -3.13 116.25 112.08 1p89 h VAL 50 Ca -0.00 -1.67 0.22 0.00 0.82 0.00 0.00 66.70 66.06 1p89 h VAL 50 Cb 0.93 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1p89 h VAL 50 CO 0.07 0.27 0.68 0.08 0.02 0.00 0.00 177.57 178.68 1p89 h ARG 51 N -1.00 0.00 -0.31 1.57 0.11 -1.63 1.86 114.38 114.99 1p89 h ARG 51 Ca -0.06 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.84 1p89 h ARG 51 Cb 0.64 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 1p89 h ARG 51 CO -0.03 0.00 -0.52 0.45 0.10 0.00 0.00 179.97 179.97 1p89 h HIS 52 N 0.00 1.11 0.07 4.08 3.86 -1.56 1.54 115.15 124.25 1p89 h HIS 52 Ca 0.35 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1p89 h HIS 52 Cb 1.71 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.97 1p89 h HIS 52 CO 0.00 1.21 -0.04 1.98 0.86 0.00 0.00 177.93 181.95 1p89 h MET 53 N 0.69 -0.10 -0.22 2.45 1.85 0.28 0.46 114.93 120.34 1p89 h MET 53 Ca 0.02 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 1p89 h MET 53 Cb 1.13 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.17 1p89 h MET 53 CO 0.12 0.13 0.11 -0.07 -0.40 0.00 0.00 176.91 176.80 1p89 h LEU 54 N -0.31 0.28 -2.51 3.39 4.07 -0.58 -0.46 115.31 119.18 1p89 h LEU 54 Ca -0.01 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1p89 h LEU 54 Cb 0.27 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1p89 h LEU 54 CO 0.02 0.31 0.09 -1.13 -1.08 0.00 0.00 178.44 176.65 1p89 h ASN 55 N 0.23 0.00 0.00 -0.43 -1.24 0.24 -1.72 115.58 112.66 1p89 h ASN 55 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1p89 h ASN 55 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1p89 h ASN 55 CO -0.01 0.00 -0.11 0.00 -1.29 0.00 0.00 177.43 176.02 1p89 h ALA 56 N 1.87 0.01 -0.02 1.57 0.00 0.15 -3.04 119.26 119.81 1p89 h ALA 56 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1p89 h ALA 56 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1p89 h ALA 56 CO -0.00 -0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.17 1p89 h LEU 57 N -0.69 0.03 -1.95 0.00 3.38 -0.72 -2.25 115.31 113.10 1p89 h LEU 57 Ca -0.01 -0.24 0.28 0.00 0.09 0.00 0.00 57.88 57.99 1p89 h LEU 57 Cb 0.91 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1p89 h LEU 57 CO 0.02 0.26 0.69 0.00 0.09 0.00 0.00 178.44 179.50 1p89 h THR 58 N -0.20 0.53 -0.60 0.22 1.03 -1.45 0.33 112.91 112.76 1p89 h THR 58 Ca 0.01 -0.01 0.02 0.00 -0.01 0.00 0.00 66.41 66.41 1p89 h THR 58 Cb 0.24 0.49 -0.04 0.00 -1.07 0.00 0.00 68.15 67.77 1p89 h THR 58 CO 0.00 0.01 0.38 0.00 -0.01 0.00 0.00 175.52 175.90 1p89 h ALA 59 N 1.53 0.77 0.00 0.00 0.00 -1.28 -1.34 119.26 118.95 1p89 h ALA 59 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1p89 h ALA 59 Cb 1.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1p89 h ALA 59 CO -0.03 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 1p89 h LEU 60 N 0.76 0.00 0.00 0.00 4.07 -0.40 -3.47 115.31 116.28 1p89 h LEU 60 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1p89 h LEU 60 Cb -0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1p89 h LEU 60 CO -0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 1p89 n GLY 61 N 1.07 0.46 3.66 0.83 0.00 -0.37 -4.71 105.19 106.13 1p89 n GLY 61 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1p89 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p89 n VAL 62 N 0.00 2.05 -3.99 1.61 0.31 -0.45 -4.87 118.33 113.00 1p89 n VAL 62 Ca 0.00 -0.23 -0.33 0.00 -0.01 0.00 0.00 64.34 63.76 1p89 n VAL 62 Cb 0.00 -1.15 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 1p89 n VAL 62 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1p89 s SER 63 N -2.03 4.68 0.15 4.52 0.01 -1.26 -3.92 113.70 115.85 1p89 s SER 63 Ca 0.72 -1.42 0.09 0.00 1.31 0.00 0.00 55.95 56.65 1p89 s SER 63 Cb -0.30 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1p89 s SER 63 CO 0.52 -0.24 -0.20 -0.72 0.41 0.00 0.00 173.24 173.00 1p89 s TYR 64 N 1.15 1.91 -0.17 2.43 -0.85 -1.26 0.49 117.35 121.06 1p89 s TYR 64 Ca -0.05 -0.44 -0.05 0.00 -0.52 0.00 0.00 57.07 56.02 1p89 s TYR 64 Cb -0.20 -0.98 0.08 0.00 0.38 0.00 0.00 41.96 41.25 1p89 s TYR 64 CO -0.04 0.33 0.28 0.99 -1.52 0.00 0.00 175.55 175.60 1p89 s THR 65 N -1.74 -0.44 0.68 -3.49 2.01 -0.99 -4.91 115.64 106.76 1p89 s THR 65 Ca 0.14 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 1p89 s THR 65 Cb -0.07 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 71.95 1p89 s THR 65 CO 0.07 0.01 0.96 -0.76 -0.69 0.00 0.00 174.62 174.21 1p89 s LEU 66 N 2.44 2.98 0.83 4.42 2.01 -1.25 -0.37 118.68 129.74 1p89 s LEU 66 Ca 0.04 0.12 -0.06 0.00 0.01 0.00 0.00 54.13 54.24 1p89 s LEU 66 Cb -0.13 -2.73 0.17 0.00 0.01 0.00 0.00 46.19 43.51 1p89 s LEU 66 CO -0.11 -1.60 1.14 -0.94 1.01 0.00 0.00 176.35 175.85 1p89 s SER 67 N -4.56 3.73 0.31 2.29 1.04 0.27 -4.85 113.70 111.92 1p89 s SER 67 Ca 0.62 -0.26 0.22 0.00 0.48 0.00 0.00 55.95 57.00 1p89 s SER 67 Cb -0.09 0.09 1.14 0.00 0.10 0.00 0.00 66.02 67.26 1p89 s SER 67 CO 0.43 -2.30 1.66 0.00 0.98 0.00 0.00 173.24 174.01 1p89 n ALA 68 N -3.23 1.12 0.00 5.32 0.00 -1.26 -0.78 120.51 121.69 1p89 n ALA 68 Ca 0.17 0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.81 1p89 n ALA 68 Cb 0.60 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1p89 n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p89 n ASP 69 N -2.25 1.96 -3.70 0.00 8.00 -1.26 -4.99 116.55 114.31 1p89 n ASP 69 Ca -0.01 -1.74 -0.25 0.00 0.71 0.00 0.00 54.79 53.50 1p89 n ASP 69 Cb 0.06 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p89 n ARG 70 N -0.10 -6.72 0.00 -1.24 1.74 0.04 -4.73 116.66 105.64 1p89 n ARG 70 Ca 0.03 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1p89 n ARG 70 Cb 0.23 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 25.99 1p89 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p89 n THR 71 N -4.75 0.00 -3.68 0.55 -2.24 -1.26 -3.77 114.28 99.13 1p89 n THR 71 Ca -0.04 -0.39 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1p89 n THR 71 Cb 0.57 1.17 -0.17 0.00 -2.10 0.00 0.00 70.33 69.81 1p89 n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p89 s ARG 72 N -0.17 0.39 0.15 -0.78 1.81 -1.25 0.14 118.95 119.25 1p89 s ARG 72 Ca 0.00 -0.25 0.11 0.00 -1.72 0.00 0.00 55.73 53.87 1p89 s ARG 72 Cb 0.00 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.53 1p89 s ARG 72 CO 0.00 -0.64 -0.26 0.00 -0.68 0.00 0.00 175.30 173.73 1p89 s GLU 74 N -2.28 1.79 -0.17 0.00 2.02 0.50 0.11 118.70 120.67 1p89 s GLU 74 Ca 0.16 -1.71 -0.15 0.00 0.02 0.00 0.00 54.97 53.29 1p89 s GLU 74 Cb -0.09 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1p89 s GLU 74 CO 0.07 -0.85 0.34 0.42 0.02 0.00 0.00 175.26 175.26 1p89 s ILE 75 N 1.00 5.26 -0.65 -1.63 1.09 0.20 -2.34 121.20 124.13 1p89 s ILE 75 Ca 0.05 0.62 -0.27 0.00 -1.10 0.00 0.00 60.65 59.95 1p89 s ILE 75 Cb -0.20 -3.68 0.03 0.00 -1.06 0.00 0.00 42.46 37.56 1p89 s ILE 75 CO -0.06 0.33 1.21 -0.63 -0.10 0.00 0.00 174.94 175.69 1p89 s ILE 76 N 0.80 3.91 -0.30 2.92 -1.09 0.18 0.22 121.20 127.83 1p89 s ILE 76 Ca 0.18 0.63 -0.37 0.00 -2.23 0.00 0.00 60.65 58.85 1p89 s ILE 76 Cb -0.14 -4.80 -0.13 0.00 -1.58 0.00 0.00 42.46 35.81 1p89 s ILE 76 CO 0.06 -1.56 2.00 0.61 -1.23 0.00 0.00 174.94 174.82 1p89 n GLY 77 N 5.21 0.70 0.22 6.18 0.00 -1.09 -4.34 105.19 112.08 1p89 n GLY 77 Ca 0.06 0.94 0.15 0.00 0.00 0.00 0.00 46.02 47.17 1p89 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1p89 h ASN 78 N 10.02 0.00 0.00 1.61 -0.73 0.27 -3.32 115.58 123.44 1p89 h ASN 78 Ca -0.35 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.82 1p89 h ASN 78 Cb 1.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.91 1p89 h ASN 78 CO 1.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 178.67 1p89 n GLY 79 N -1.03 3.03 0.00 1.57 0.00 0.26 -4.88 105.19 104.14 1p89 n GLY 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1p89 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 80 N -1.60 5.44 3.87 -0.02 0.00 -1.20 -4.62 105.19 107.07 1p89 n GLY 80 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1p89 n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p89 s PRO 81 N 2.29 2.05 -0.83 1.61 0.02 -1.26 -3.44 135.00 135.44 1p89 s PRO 81 Ca 0.00 0.26 -0.25 0.00 0.02 0.00 0.00 61.00 61.03 1p89 s PRO 81 Cb 0.00 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 1p89 s PRO 81 CO 0.00 -1.57 2.09 -0.51 -0.33 0.00 0.00 177.00 176.69 1p89 s LEU 82 N -5.62 3.10 -0.28 -5.54 2.01 -1.25 -4.87 118.68 106.22 1p89 s LEU 82 Ca 0.61 -0.32 -0.25 0.00 0.01 0.00 0.00 54.13 54.18 1p89 s LEU 82 Cb -0.12 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.53 1p89 s LEU 82 CO 0.51 -3.06 0.88 -1.00 1.01 0.00 0.00 176.35 174.70 1p89 s HIS 83 N 11.47 3.23 -0.21 0.29 3.76 -1.26 -4.25 115.29 128.31 1p89 s HIS 83 Ca 0.77 1.04 -0.04 0.00 -0.15 0.00 0.00 55.06 56.69 1p89 s HIS 83 Cb -0.09 -3.28 0.09 0.00 1.11 0.00 0.00 32.58 30.41 1p89 s HIS 83 CO 0.04 -0.56 0.20 0.00 -0.85 0.00 0.00 174.74 173.58 1p89 s ALA 84 N 3.10 -0.12 -0.66 -1.40 0.00 -1.26 -4.72 121.76 116.70 1p89 s ALA 84 Ca 0.37 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1p89 s ALA 84 Cb -0.14 -1.33 0.17 0.00 0.00 0.00 0.00 23.12 21.82 1p89 s ALA 84 CO 0.11 -1.29 0.50 -2.00 0.00 0.00 0.00 175.76 173.09 1p89 s GLU 85 N 2.28 2.77 0.00 0.00 2.12 -1.26 -0.66 118.70 123.95 1p89 s GLU 85 Ca 0.07 -2.50 0.00 0.00 0.36 0.00 0.00 54.97 52.90 1p89 s GLU 85 Cb -0.16 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1p89 s GLU 85 CO -0.16 -1.20 0.08 0.41 -0.54 0.00 0.00 175.26 173.86 1p89 n GLY 86 N 3.62 0.22 3.68 -1.50 0.00 -1.25 -4.92 105.19 105.04 1p89 n GLY 86 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1p89 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 n ALA 87 N 0.00 -1.86 -2.71 4.61 0.00 0.12 -4.92 120.51 115.76 1p89 n ALA 87 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1p89 n ALA 87 Cb 0.11 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 1p89 n ALA 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1p89 s LEU 88 N -6.76 4.34 -0.19 0.00 2.96 0.77 -4.64 118.68 115.16 1p89 s LEU 88 Ca 0.14 1.54 -0.06 0.00 -0.22 0.00 0.00 54.13 55.53 1p89 s LEU 88 Cb -0.07 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1p89 s LEU 88 CO 0.80 -0.27 0.04 -0.70 -1.32 0.00 0.00 176.35 174.90 1p89 s GLU 89 N 1.15 3.82 0.22 1.98 2.12 -1.25 0.12 118.70 126.86 1p89 s GLU 89 Ca 0.48 -0.42 0.09 0.00 0.36 0.00 0.00 54.97 55.48 1p89 s GLU 89 Cb -0.20 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1p89 s GLU 89 CO 0.24 0.16 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.62 1p89 s LEU 90 N 0.64 3.25 -0.40 2.70 1.43 0.20 -4.86 118.68 121.65 1p89 s LEU 90 Ca 0.02 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1p89 s LEU 90 Cb -0.13 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.35 1p89 s LEU 90 CO 0.02 0.04 0.18 0.12 0.23 0.00 0.00 176.35 176.94 1p89 s PHE 91 N -2.03 3.53 -0.66 0.29 5.36 -1.26 0.33 117.98 123.54 1p89 s PHE 91 Ca 0.29 -2.29 0.13 0.00 -0.96 0.00 0.00 56.93 54.11 1p89 s PHE 91 Cb -0.08 -3.07 0.66 0.00 -0.34 0.00 0.00 43.02 40.20 1p89 s PHE 91 CO 0.19 -0.94 1.52 1.28 -1.46 0.00 0.00 175.22 175.81 1p89 n LEU 92 N 4.62 4.65 0.00 6.12 4.77 0.21 -4.90 117.00 132.48 1p89 n LEU 92 Ca -0.04 -2.36 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 1p89 n LEU 92 Cb 0.42 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1p89 n LEU 92 CO 0.33 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1p89 n GLY 93 N 0.69 0.57 2.35 -0.72 0.00 -1.24 -2.27 105.19 104.58 1p89 n GLY 93 Ca 0.23 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1p89 n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p89 n ASN 94 N -3.31 6.14 0.00 1.61 5.15 -1.26 -3.71 115.26 119.88 1p89 n ASN 94 Ca 0.00 -3.00 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 1p89 n ASN 94 Cb 0.00 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 37.96 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p89 n ALA 95 N 1.35 0.00 0.00 5.20 0.00 -0.96 -4.93 120.51 121.17 1p89 n ALA 95 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1p89 n ALA 95 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1p89 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p89 n GLY 96 N 2.34 2.81 0.38 0.00 0.00 -1.26 -4.74 105.19 104.70 1p89 n GLY 96 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1p89 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p89 n THR 97 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -4.32 114.28 107.07 1p89 n THR 97 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1p89 n THR 97 Cb 0.00 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 n ALA 98 N -0.35 0.82 0.42 6.98 0.00 -1.26 -4.70 120.51 122.41 1p89 n ALA 98 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 1p89 n ALA 98 Cb 0.42 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1p89 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1p89 h MET 99 N 0.00 -1.03 0.20 0.00 -1.53 -1.87 0.67 114.93 111.36 1p89 h MET 99 Ca 0.00 0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.32 1p89 h MET 99 Cb 0.09 0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 1p89 h MET 99 CO 0.00 -0.68 -0.11 0.00 0.14 0.00 0.00 176.91 176.27 1p89 h ARG 100 N -1.18 -0.28 -0.43 0.39 -0.00 -1.83 0.24 114.38 111.29 1p89 h ARG 100 Ca -0.11 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 1p89 h ARG 100 Cb 0.83 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.85 1p89 h ARG 100 CO 0.18 -0.18 0.22 -1.35 0.00 0.00 0.00 179.97 178.84 1p89 h PRO 101 N -0.29 0.61 -0.02 0.04 0.11 -1.61 -2.77 132.00 128.07 1p89 h PRO 101 Ca -0.02 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 65.84 1p89 h PRO 101 Cb 0.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1p89 h PRO 101 CO 0.04 0.51 -0.72 1.25 -0.21 0.00 0.00 178.00 178.86 1p89 h LEU 102 N 0.56 0.15 -0.16 2.35 7.12 -0.84 -2.30 115.31 122.19 1p89 h LEU 102 Ca 0.15 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1p89 h LEU 102 Cb 0.09 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 1p89 h LEU 102 CO -0.02 0.82 0.10 0.00 -0.13 0.00 0.00 178.44 179.20 1p89 h ALA 103 N 1.18 0.21 -0.17 1.25 0.00 -0.40 -2.92 119.26 118.40 1p89 h ALA 103 Ca -0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1p89 h ALA 103 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1p89 h ALA 103 CO 0.10 -0.28 -0.61 0.00 0.00 0.00 0.00 179.25 178.46 1p89 h ALA 104 N 1.01 0.61 -0.72 0.00 0.00 -1.52 -3.18 119.26 115.47 1p89 h ALA 104 Ca 0.06 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1p89 h ALA 104 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1p89 h ALA 104 CO -0.01 0.70 0.43 0.00 0.00 0.00 0.00 179.25 180.37 1p89 h ALA 105 N 0.88 0.96 0.00 0.00 0.00 -1.30 -0.91 119.26 118.90 1p89 h ALA 105 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1p89 h ALA 105 Cb 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1p89 h ALA 105 CO 0.12 0.17 -0.21 -0.07 0.00 0.00 0.00 179.25 179.26 1p89 h LEU 106 N 0.82 0.00 -0.17 0.00 3.38 -1.57 -2.80 115.31 114.97 1p89 h LEU 106 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1p89 h LEU 106 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1p89 h LEU 106 CO -0.15 0.21 0.02 0.00 0.09 0.00 0.00 178.44 178.61 1p89 s LEU 108 N -3.14 2.69 0.00 0.00 1.43 -1.06 0.46 118.68 119.07 1p89 s LEU 108 Ca -0.00 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1p89 s LEU 108 Cb 0.01 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1p89 s LEU 108 CO 0.02 -1.69 0.00 0.61 0.23 0.00 0.00 176.35 175.52 1p89 n GLY 109 N -3.11 1.63 3.15 -3.19 0.00 -1.26 -3.90 105.19 98.51 1p89 n GLY 109 Ca 0.08 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.63 1p89 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p89 s SER 110 N -4.00 -1.47 -0.01 1.61 1.04 -1.26 0.21 113.70 109.81 1p89 s SER 110 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1p89 s SER 110 Cb 0.00 1.97 0.01 0.00 0.10 0.00 0.00 66.02 68.10 1p89 s SER 110 CO 0.00 -0.27 0.00 0.20 0.98 0.00 0.00 173.24 174.15 1p89 s ASN 111 N 2.85 0.19 -0.39 7.02 0.01 -1.24 -4.57 114.94 118.82 1p89 s ASN 111 Ca 0.13 -0.01 -0.13 0.00 -0.71 0.00 0.00 52.86 52.14 1p89 s ASN 111 Cb -0.10 -0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.50 1p89 s ASN 111 CO -0.25 -0.05 0.25 -1.81 -1.51 0.00 0.00 177.10 173.74 1p89 s ASP 112 N 0.49 5.94 -0.07 -1.22 1.11 0.16 -1.27 116.67 121.80 1p89 s ASP 112 Ca -0.04 -0.89 -0.07 0.00 0.18 0.00 0.00 52.55 51.72 1p89 s ASP 112 Cb -0.07 -2.10 0.02 0.00 1.07 0.00 0.00 42.92 41.84 1p89 s ASP 112 CO -0.01 -0.40 0.21 -0.63 1.18 0.00 0.00 175.17 175.52 1p89 s ILE 113 N 1.63 0.01 -0.30 0.77 1.09 -0.54 -0.16 121.20 123.70 1p89 s ILE 113 Ca 0.04 -0.04 -0.05 0.00 -1.10 0.00 0.00 60.65 59.50 1p89 s ILE 113 Cb -0.19 -0.31 0.03 0.00 -1.06 0.00 0.00 42.46 40.93 1p89 s ILE 113 CO 0.09 -0.02 0.05 -0.69 -0.10 0.00 0.00 174.94 174.26 1p89 s VAL 114 N 0.01 3.55 0.40 2.92 1.01 0.32 0.16 120.40 128.78 1p89 s VAL 114 Ca -0.01 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 1p89 s VAL 114 Cb -0.02 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.34 1p89 s VAL 114 CO 0.00 -0.02 0.88 -0.76 0.00 0.00 0.00 175.10 175.20 1p89 s LEU 115 N 1.39 3.95 0.35 3.92 1.43 0.52 0.63 118.68 130.87 1p89 s LEU 115 Ca -0.01 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1p89 s LEU 115 Cb -0.18 -4.37 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1p89 s LEU 115 CO 0.01 -0.33 0.65 -0.89 0.23 0.00 0.00 176.35 176.02 1p89 s THR 116 N -2.17 0.00 0.00 5.49 2.01 0.15 -2.23 115.64 118.90 1p89 s THR 116 Ca 0.59 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1p89 s THR 116 Cb -0.09 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1p89 s THR 116 CO 0.17 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1p89 n GLY 117 N -0.52 1.98 3.65 4.40 0.00 -1.26 0.67 105.19 114.09 1p89 n GLY 117 Ca -0.04 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1p89 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p89 s GLU 118 N -0.61 -0.68 0.49 1.61 0.41 -1.24 -4.70 118.70 113.97 1p89 s GLU 118 Ca 0.00 0.01 0.18 0.00 -0.41 0.00 0.00 54.97 54.75 1p89 s GLU 118 Cb 0.00 -1.65 1.21 0.00 -1.78 0.00 0.00 34.13 31.91 1p89 s GLU 118 CO 0.00 -3.37 2.07 -1.35 -0.49 0.00 0.00 175.26 172.12 1p89 h PRO 119 N -2.34 0.00 0.19 0.39 0.11 -2.01 -2.50 132.00 125.84 1p89 h PRO 119 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 1p89 h PRO 119 Cb 1.30 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.43 1p89 h PRO 119 CO 0.40 0.11 -1.38 -0.09 -0.21 0.00 0.00 178.00 176.83 1p89 h ARG 120 N 0.00 0.39 0.00 1.05 9.65 -1.97 -3.17 114.38 120.33 1p89 h ARG 120 Ca -0.00 -0.67 0.00 0.00 -1.10 0.00 0.00 59.98 58.21 1p89 h ARG 120 Cb 0.20 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1p89 h ARG 120 CO 0.01 1.31 0.02 1.98 2.80 0.00 0.00 179.97 186.10 1p89 h MET 121 N 0.11 0.00 0.00 0.20 4.05 -1.73 -0.82 114.93 116.74 1p89 h MET 121 Ca -0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1p89 h MET 121 Cb 2.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.87 1p89 h MET 121 CO 0.23 0.00 0.00 1.63 0.23 0.00 0.00 176.91 179.00 1p89 n LYS 122 N -2.39 0.21 -0.48 0.39 5.02 -1.16 -2.37 118.16 117.38 1p89 n LYS 122 Ca -0.02 0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.49 1p89 n LYS 122 Cb 0.06 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.75 1p89 n LYS 122 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1p89 n GLU 123 N -1.29 1.42 -3.52 1.97 0.28 -0.31 -4.66 120.64 114.54 1p89 n GLU 123 Ca 0.07 -3.02 -0.42 0.00 -0.16 0.00 0.00 57.16 53.63 1p89 n GLU 123 Cb 0.12 -1.51 -0.07 0.00 1.43 0.00 0.00 31.44 31.41 1p89 n GLU 123 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1p89 s ARG 124 N -2.98 2.89 0.12 3.44 1.81 -1.00 -5.06 118.95 118.17 1p89 s ARG 124 Ca 0.36 -2.20 -0.35 0.00 -1.72 0.00 0.00 55.73 51.82 1p89 s ARG 124 Cb 0.34 -4.05 -0.14 0.00 -0.45 0.00 0.00 34.95 30.65 1p89 s ARG 124 CO -0.04 -1.23 1.55 -0.35 -0.68 0.00 0.00 175.30 174.55 1p89 n PRO 125 N 4.22 1.90 -1.12 3.54 -0.04 -1.22 -4.33 135.00 137.96 1p89 n PRO 125 Ca 0.03 0.69 0.05 0.00 -0.04 0.00 0.00 63.50 64.22 1p89 n PRO 125 Cb 0.42 -2.43 0.09 0.00 -0.04 0.00 0.00 33.50 31.53 1p89 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1p89 n ILE 126 N 3.37 0.79 0.03 0.52 3.06 -1.18 -4.87 119.36 121.08 1p89 n ILE 126 Ca 0.18 -1.75 -0.13 0.00 -2.50 0.00 0.00 62.75 58.55 1p89 n ILE 126 Cb 0.26 0.53 -0.09 0.00 0.54 0.00 0.00 39.64 40.88 1p89 n ILE 126 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1p89 h GLY 127 N 0.94 -0.09 0.94 4.50 0.00 -1.90 -0.73 103.07 106.72 1p89 h GLY 127 Ca -0.14 0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.37 1p89 h GLY 127 CO 0.06 -0.03 0.39 0.45 0.00 0.00 0.00 176.54 177.41 1p89 h HIS 128 N -0.50 0.00 0.00 5.60 3.86 -1.95 0.64 115.15 122.80 1p89 h HIS 128 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1p89 h HIS 128 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1p89 h HIS 128 CO 0.06 0.00 -0.07 1.25 0.86 0.00 0.00 177.93 180.03 1p89 h LEU 129 N 0.00 0.00 -2.00 2.43 5.85 -1.88 -3.16 115.31 116.56 1p89 h LEU 129 Ca 0.23 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.08 1p89 h LEU 129 Cb 1.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1p89 h LEU 129 CO -0.00 0.45 0.43 0.58 -0.34 0.00 0.00 178.44 179.56 1p89 h VAL 130 N -0.83 0.43 -0.18 1.05 2.07 -0.77 -0.91 116.25 117.12 1p89 h VAL 130 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1p89 h VAL 130 Cb 0.07 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1p89 h VAL 130 CO 0.00 0.00 -0.39 -0.78 0.02 0.00 0.00 177.57 176.42 1p89 h ASP 131 N 0.00 0.65 0.14 0.57 1.82 0.16 -2.28 116.42 117.47 1p89 h ASP 131 Ca 0.21 -0.56 -0.01 0.00 -0.39 0.00 0.00 57.03 56.28 1p89 h ASP 131 Cb 1.06 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1p89 h ASP 131 CO -0.00 1.09 -0.07 0.00 -1.61 0.00 0.00 179.24 178.65 1p89 h ALA 132 N 0.58 -0.19 -0.68 -0.78 0.00 -1.13 -1.38 119.26 115.68 1p89 h ALA 132 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1p89 h ALA 132 Cb 0.99 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1p89 h ALA 132 CO 0.08 -0.47 0.39 -0.07 0.00 0.00 0.00 179.25 179.19 1p89 h LEU 133 N -0.46 0.61 -1.57 0.00 3.38 -1.59 -0.64 115.31 115.04 1p89 h LEU 133 Ca -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p89 h LEU 133 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1p89 h LEU 133 CO 0.03 0.40 0.22 0.03 0.09 0.00 0.00 178.44 179.22 1p89 h ARG 134 N 0.74 0.51 -0.01 1.13 3.08 -1.32 -0.40 114.38 118.12 1p89 h ARG 134 Ca 0.29 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 1p89 h ARG 134 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1p89 h ARG 134 CO -0.16 0.36 -0.44 -0.07 -1.07 0.00 0.00 179.97 178.60 1p89 h LEU 135 N 0.52 0.01 -0.19 3.04 3.38 0.03 -2.52 115.31 119.59 1p89 h LEU 135 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1p89 h LEU 135 Cb -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1p89 h LEU 135 CO -0.03 0.45 0.00 1.23 0.09 0.00 0.00 178.44 180.18 1p89 h GLY 136 N 1.31 0.00 0.00 0.83 0.00 -0.49 -3.45 103.07 101.27 1p89 h GLY 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p89 h GLY 136 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1p89 n GLY 137 N 1.00 0.09 3.77 4.60 0.00 -0.88 -0.10 105.19 113.68 1p89 n GLY 137 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1p89 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 s ALA 138 N -0.99 2.97 -0.51 4.61 0.00 -0.37 -3.27 121.76 124.21 1p89 s ALA 138 Ca 0.00 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1p89 s ALA 138 Cb 0.00 -3.35 0.13 0.00 0.00 0.00 0.00 23.12 19.90 1p89 s ALA 138 CO 0.00 -0.55 0.29 0.15 0.00 0.00 0.00 175.76 175.65 1p89 s LYS 139 N -2.73 2.17 0.48 0.00 1.02 -0.49 -4.32 119.74 115.86 1p89 s LYS 139 Ca 0.63 -2.24 0.04 0.00 0.02 0.00 0.00 55.97 54.41 1p89 s LYS 139 Cb -0.26 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1p89 s LYS 139 CO 0.32 -1.10 0.05 0.42 -0.92 0.00 0.00 175.35 174.11 1p89 s ILE 140 N 0.40 1.52 0.00 2.17 1.01 -1.26 0.12 121.20 125.16 1p89 s ILE 140 Ca 0.13 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 58.85 1p89 s ILE 140 Cb -0.22 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1p89 s ILE 140 CO -0.04 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.97 1p89 n THR 141 N -1.22 0.00 -3.65 2.92 5.66 -0.69 -4.90 114.28 112.41 1p89 n THR 141 Ca -0.12 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.58 1p89 n THR 141 Cb 0.67 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.29 1p89 n THR 141 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1p89 s TYR 142 N -4.99 0.99 -0.66 1.09 2.02 -1.26 -3.71 117.35 110.83 1p89 s TYR 142 Ca 0.00 -1.23 0.23 0.00 -0.37 0.00 0.00 57.07 55.70 1p89 s TYR 142 Cb 0.00 -1.26 0.90 0.00 -0.40 0.00 0.00 41.96 41.20 1p89 s TYR 142 CO 0.00 -0.81 1.70 1.28 -1.57 0.00 0.00 175.55 176.15 1p89 n LEU 143 N 5.06 0.54 0.00 -1.29 7.99 -1.05 -4.63 117.00 123.62 1p89 n LEU 143 Ca -0.05 0.61 0.00 0.00 -0.01 0.00 0.00 56.01 56.56 1p89 n LEU 143 Cb 0.43 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1p89 n LEU 143 CO 0.08 -0.39 0.00 -0.62 -1.51 0.00 0.00 177.39 174.96 1p89 n GLU 144 N -2.07 0.00 -4.60 3.23 1.02 -1.26 -5.05 120.64 111.91 1p89 n GLU 144 Ca 0.03 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.89 1p89 n GLU 144 Cb 0.27 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.55 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p89 s GLN 145 N -0.68 1.50 0.16 3.49 1.11 -1.26 -5.11 119.66 118.87 1p89 s GLN 145 Ca 0.00 -1.18 -0.31 0.00 0.01 0.00 0.00 55.36 53.88 1p89 s GLN 145 Cb 0.00 -1.80 -0.09 0.00 -1.01 0.00 0.00 33.01 30.11 1p89 s GLN 145 CO 0.00 0.45 1.39 -1.21 0.01 0.00 0.00 175.29 175.93 1p89 s GLU 146 N -1.62 4.32 -0.82 2.91 2.02 -1.26 -3.30 118.70 120.95 1p89 s GLU 146 Ca 0.11 2.13 -0.01 0.00 0.02 0.00 0.00 54.97 57.22 1p89 s GLU 146 Cb -0.10 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1p89 s GLU 146 CO 0.04 -0.40 0.69 0.09 0.02 0.00 0.00 175.26 175.70 1p89 n ASN 147 N 3.36 -2.65 -3.03 -0.19 3.02 -1.26 -4.95 115.26 109.55 1p89 n ASN 147 Ca 0.10 -0.45 -0.15 0.00 -0.03 0.00 0.00 54.58 54.05 1p89 n ASN 147 Cb 0.42 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 1p89 n ASN 147 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1p89 n TYR 148 N -3.11 -1.42 -0.29 3.10 4.01 -1.21 -3.09 117.16 115.15 1p89 n TYR 148 Ca -0.17 -2.41 0.08 0.00 -0.16 0.00 0.00 57.90 55.24 1p89 n TYR 148 Cb 0.61 0.54 0.24 0.00 -0.31 0.00 0.00 39.34 40.42 1p89 n TYR 148 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1p89 h PRO 149 N 0.00 0.49 -5.79 -0.72 0.13 -1.77 -3.40 132.00 120.94 1p89 h PRO 149 Ca -0.27 -0.03 -0.50 0.00 -0.87 0.00 0.00 66.00 64.33 1p89 h PRO 149 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1p89 h PRO 149 CO 0.37 0.32 1.53 -1.25 -0.23 0.00 0.00 178.00 178.75 1p89 s PRO 150 N -5.96 2.44 -0.04 1.56 0.04 -1.22 -3.57 135.00 128.25 1p89 s PRO 150 Ca -0.12 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 1p89 s PRO 150 Cb 0.22 -4.49 0.03 0.00 0.04 0.00 0.00 34.50 30.31 1p89 s PRO 150 CO 0.77 -2.90 0.03 -0.51 0.04 0.00 0.00 177.00 174.44 1p89 s LEU 151 N 10.63 0.53 -0.34 -3.56 1.43 -0.95 -2.52 118.68 123.90 1p89 s LEU 151 Ca 0.90 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 1p89 s LEU 151 Cb -0.19 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.83 1p89 s LEU 151 CO 0.27 -0.20 0.16 -0.60 0.23 0.00 0.00 176.35 176.21 1p89 s ARG 152 N 1.79 2.98 0.33 1.70 3.52 -1.24 0.20 118.95 128.23 1p89 s ARG 152 Ca 0.01 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 54.63 1p89 s ARG 152 Cb -0.12 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1p89 s ARG 152 CO -0.03 -0.58 0.56 -0.51 -0.81 0.00 0.00 175.30 173.93 1p89 s LEU 153 N 1.55 4.00 0.00 -0.88 1.43 0.43 -1.71 118.68 123.50 1p89 s LEU 153 Ca 0.02 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 1p89 s LEU 153 Cb -0.18 -3.43 0.15 0.00 0.03 0.00 0.00 46.19 42.76 1p89 s LEU 153 CO 0.06 -0.27 0.99 0.00 0.23 0.00 0.00 176.35 177.35 1p89 n GLN 154 N -1.49 0.00 0.00 1.70 6.02 0.32 -1.46 117.38 122.47 1p89 n GLN 154 Ca -0.03 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.76 1p89 n GLN 154 Cb 0.55 -0.12 0.00 0.00 1.02 0.00 0.00 30.24 31.69 1p89 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p89 n GLY 155 N 0.17 -0.08 0.00 1.08 0.00 -0.91 -3.58 105.19 101.87 1p89 n GLY 155 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1p89 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 156 N 0.00 0.68 3.58 -0.02 0.00 0.13 -1.40 105.19 108.17 1p89 n GLY 156 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1p89 n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p89 s PHE 157 N -2.00 1.16 -0.18 1.61 5.36 0.17 -3.86 117.98 120.25 1p89 s PHE 157 Ca 0.00 0.93 -0.05 0.00 -0.96 0.00 0.00 56.93 56.85 1p89 s PHE 157 Cb 0.00 -3.81 -0.09 0.00 -0.34 0.00 0.00 43.02 38.78 1p89 s PHE 157 CO 0.00 -3.42 -0.20 0.25 -1.46 0.00 0.00 175.22 170.38 1p89 n THR 158 N 7.83 0.99 -0.68 0.12 -2.24 -0.71 -4.27 114.28 115.32 1p89 n THR 158 Ca 0.32 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1p89 n THR 158 Cb 0.49 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1p89 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p89 n GLY 159 N 2.18 0.65 0.00 3.38 0.00 0.85 0.16 105.19 112.42 1p89 n GLY 159 Ca -0.34 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1p89 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 160 N 0.00 2.45 3.71 -0.02 0.00 -0.07 -4.25 105.19 107.00 1p89 n GLY 160 Ca 0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1p89 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p89 s ASN 161 N 0.00 6.59 0.03 1.61 -0.87 -1.26 -1.18 114.94 119.86 1p89 s ASN 161 Ca 0.00 2.58 0.01 0.00 -1.57 0.00 0.00 52.86 53.87 1p89 s ASN 161 Cb 0.00 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.62 1p89 s ASN 161 CO 0.00 -0.84 -0.05 -0.69 -2.57 0.00 0.00 177.10 172.95 1p89 s VAL 162 N 1.59 0.31 -0.20 1.60 1.01 0.56 -4.86 120.40 120.41 1p89 s VAL 162 Ca 0.71 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1p89 s VAL 162 Cb -0.43 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1p89 s VAL 162 CO 0.32 -0.51 -0.16 -1.81 0.00 0.00 0.00 175.10 172.93 1p89 s ASP 163 N -1.70 3.56 0.09 3.32 1.01 -1.26 0.16 116.67 121.84 1p89 s ASP 163 Ca -0.10 -0.78 0.10 0.00 0.71 0.00 0.00 52.55 52.47 1p89 s ASP 163 Cb -0.08 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.29 1p89 s ASP 163 CO -0.01 -0.05 -0.24 0.54 0.21 0.00 0.00 175.17 175.62 1p89 s VAL 164 N 1.28 2.43 0.02 -1.27 0.11 0.14 -4.58 120.40 118.53 1p89 s VAL 164 Ca 0.02 -1.53 -0.24 0.00 -2.93 0.00 0.00 61.98 57.30 1p89 s VAL 164 Cb -0.15 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.61 1p89 s VAL 164 CO -0.10 0.20 0.74 -0.62 -3.33 0.00 0.00 175.10 171.99 1p89 s ASP 165 N -1.78 7.15 -0.00 3.54 2.15 -1.26 0.64 116.67 127.11 1p89 s ASP 165 Ca 0.14 1.37 -0.20 0.00 0.43 0.00 0.00 52.55 54.29 1p89 s ASP 165 Cb -0.10 -2.45 -0.24 0.00 -0.30 0.00 0.00 42.92 39.83 1p89 s ASP 165 CO 0.06 -0.01 1.08 1.23 -0.17 0.00 0.00 175.17 177.36 1p89 h GLY 166 N 5.91 0.42 -1.81 2.66 0.00 -1.75 -3.43 103.07 105.07 1p89 h GLY 166 Ca -0.43 -0.75 -0.50 0.00 0.00 0.00 0.00 47.33 45.64 1p89 h GLY 166 CO 0.72 0.66 -0.85 -1.14 0.00 0.00 0.00 176.54 175.93 1p89 n SER 167 N -4.25 -2.38 -2.23 0.19 3.41 -0.91 -3.16 113.62 104.30 1p89 n SER 167 Ca -0.10 0.15 -0.06 0.00 -0.26 0.00 0.00 58.87 58.60 1p89 n SER 167 Cb 0.66 -1.08 0.03 0.00 -0.26 0.00 0.00 64.21 63.55 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1p89 n VAL 168 N -3.85 -4.48 -1.35 -3.33 0.31 -1.26 -4.84 118.33 99.52 1p89 n VAL 168 Ca 0.04 -0.54 0.07 0.00 -0.01 0.00 0.00 64.34 63.89 1p89 n VAL 168 Cb 0.57 -4.52 -0.04 0.00 -0.91 0.00 0.00 33.84 28.95 1p89 n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1p89 n SER 169 N -2.17 -6.23 0.00 4.52 7.64 -1.26 -4.40 113.62 111.72 1p89 n SER 169 Ca -0.03 1.28 0.09 0.00 1.01 0.00 0.00 58.87 61.23 1p89 n SER 169 Cb 0.55 -4.24 0.55 0.00 -1.01 0.00 0.00 64.21 60.06 1p89 n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1p89 n SER 170 N -3.26 0.00 0.24 6.43 2.88 -1.26 -3.75 113.62 114.89 1p89 n SER 170 Ca -0.04 -1.09 0.18 0.00 -1.33 0.00 0.00 58.87 56.59 1p89 n SER 170 Cb 0.45 0.00 0.82 0.00 -0.75 0.00 0.00 64.21 64.73 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1p89 h GLN 171 N 0.00 0.00 0.05 -1.46 1.08 -1.88 1.04 115.11 113.94 1p89 h GLN 171 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1p89 h GLN 171 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1p89 h GLN 171 CO 0.00 0.00 -0.03 0.74 -0.95 0.00 0.00 178.83 178.59 1p89 h PHE 172 N 0.00 -0.07 -0.13 2.96 -1.00 -1.80 -2.92 116.94 113.98 1p89 h PHE 172 Ca 0.08 -0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.64 1p89 h PHE 172 Cb 0.73 0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.32 1p89 h PHE 172 CO 0.00 0.34 -0.77 1.25 -1.61 0.00 0.00 178.31 177.52 1p89 h LEU 173 N -0.98 0.80 -1.67 1.54 5.85 -1.66 -2.29 115.31 116.90 1p89 h LEU 173 Ca -0.01 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1p89 h LEU 173 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1p89 h LEU 173 CO 0.01 1.31 0.19 0.74 -0.34 0.00 0.00 178.44 180.34 1p89 h THR 174 N 0.45 1.09 0.01 1.05 2.02 0.93 0.94 112.91 119.40 1p89 h THR 174 Ca -0.05 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1p89 h THR 174 Cb 1.38 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1p89 h THR 174 CO 0.15 0.09 -0.00 0.00 0.37 0.00 0.00 175.52 176.13 1p89 h ALA 175 N 1.79 -0.01 -0.50 6.16 0.00 -1.40 -2.02 119.26 123.28 1p89 h ALA 175 Ca 0.11 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1p89 h ALA 175 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1p89 h ALA 175 CO -0.02 -0.19 -0.11 -0.07 0.00 0.00 0.00 179.25 178.86 1p89 h LEU 176 N -0.65 0.93 -1.45 0.00 3.38 -1.02 0.36 115.31 116.86 1p89 h LEU 176 Ca -0.00 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1p89 h LEU 176 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1p89 h LEU 176 CO 0.00 1.05 -0.21 -0.07 0.09 0.00 0.00 178.44 179.30 1p89 h LEU 177 N 0.83 0.00 0.00 1.67 3.38 0.85 1.42 115.31 123.46 1p89 h LEU 177 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.83 1p89 h LEU 177 Cb 0.65 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1p89 h LEU 177 CO 0.05 0.21 -1.91 0.23 0.09 0.00 0.00 178.44 177.10 1p89 n MET 178 N -3.55 0.65 -0.08 1.13 2.81 -0.76 -4.07 117.12 113.25 1p89 n MET 178 Ca -0.01 0.13 -0.22 0.00 -1.81 0.00 0.00 57.70 55.79 1p89 n MET 178 Cb 0.35 -1.68 -0.12 0.00 -0.71 0.00 0.00 33.22 31.07 1p89 n MET 178 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1p89 n THR 179 N -2.84 1.60 -0.33 2.03 -1.04 0.12 -4.44 114.28 109.38 1p89 n THR 179 Ca -0.20 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1p89 n THR 179 Cb 1.00 -1.92 0.17 0.00 -1.82 0.00 0.00 70.33 67.76 1p89 n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 h ALA 180 N -0.37 1.37 -0.89 2.41 0.00 0.18 -2.44 119.26 119.51 1p89 h ALA 180 Ca -0.41 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.61 1p89 h ALA 180 Cb 1.56 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1p89 h ALA 180 CO -0.14 0.55 0.58 -1.00 0.00 0.00 0.00 179.25 179.24 1p89 h PRO 181 N 1.22 0.59 -0.00 0.00 0.13 -1.71 0.38 132.00 132.62 1p89 h PRO 181 Ca 0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1p89 h PRO 181 Cb -0.05 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1p89 h PRO 181 CO -0.10 0.39 -0.15 1.28 -0.23 0.00 0.00 178.00 179.20 1p89 n LEU 182 N -4.56 0.48 -4.67 1.56 4.32 -0.94 0.13 117.00 113.32 1p89 n LEU 182 Ca 0.18 0.03 -0.42 0.00 -0.02 0.00 0.00 56.01 55.78 1p89 n LEU 182 Cb 0.54 -0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 42.10 1p89 n LEU 182 CO 0.29 0.09 1.34 0.00 -1.22 0.00 0.00 177.39 177.90 1p89 s ALA 183 N -2.57 3.62 0.43 -1.18 0.00 0.13 -4.06 121.76 118.14 1p89 s ALA 183 Ca 0.26 0.96 0.36 0.00 0.00 0.00 0.00 51.96 53.53 1p89 s ALA 183 Cb 0.20 -3.73 1.40 0.00 0.00 0.00 0.00 23.12 20.99 1p89 s ALA 183 CO 0.50 -1.33 1.35 -2.30 0.00 0.00 0.00 175.76 173.98 1p89 n PRO 184 N 6.84 -0.02 -4.11 0.00 -0.01 -1.21 0.11 135.00 136.60 1p89 n PRO 184 Ca 0.17 1.01 -0.27 0.00 -0.01 0.00 0.00 63.50 64.39 1p89 n PRO 184 Cb 0.43 -2.15 -0.06 0.00 -0.01 0.00 0.00 33.50 31.70 1p89 n PRO 184 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 1p89 s GLU 185 N -4.80 2.73 -0.11 -0.52 2.02 0.43 -3.75 118.70 114.71 1p89 s GLU 185 Ca -0.05 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.75 1p89 s GLU 185 Cb 0.25 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 1p89 s GLU 185 CO 0.74 0.50 1.66 0.34 0.02 0.00 0.00 175.26 178.52 1p89 s ASP 186 N -2.85 6.54 -0.12 -0.19 -1.08 -1.26 -3.70 116.67 114.01 1p89 s ASP 186 Ca 0.29 2.05 -0.05 0.00 -0.52 0.00 0.00 52.55 54.32 1p89 s ASP 186 Cb -0.10 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 1p89 s ASP 186 CO 0.21 -1.06 0.08 -0.89 0.52 0.00 0.00 175.17 174.03 1p89 s THR 187 N 4.52 4.95 -0.34 1.71 2.01 -0.47 -0.89 115.64 127.13 1p89 s THR 187 Ca 0.74 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.76 1p89 s THR 187 Cb -0.31 -3.15 0.10 0.00 0.01 0.00 0.00 72.50 69.15 1p89 s THR 187 CO 0.30 0.58 0.09 -0.69 -0.69 0.00 0.00 174.62 174.20 1p89 s VAL 188 N -0.65 1.62 0.09 3.82 1.01 -0.33 1.00 120.40 126.95 1p89 s VAL 188 Ca 0.12 -1.97 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 1p89 s VAL 188 Cb -0.12 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 1p89 s VAL 188 CO 0.02 -0.66 0.53 -0.63 0.00 0.00 0.00 175.10 174.36 1p89 s ILE 189 N 1.15 4.85 0.43 2.22 1.01 -0.78 0.21 121.20 130.29 1p89 s ILE 189 Ca 0.11 0.98 0.07 0.00 0.00 0.00 0.00 60.65 61.81 1p89 s ILE 189 Cb -0.19 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1p89 s ILE 189 CO -0.15 0.44 0.20 0.00 0.00 0.00 0.00 174.94 175.42 1p89 s ARG 190 N -1.44 2.24 -0.50 2.79 1.70 0.42 0.34 118.95 124.50 1p89 s ARG 190 Ca 0.31 -1.87 -0.05 0.00 -0.47 0.00 0.00 55.73 53.65 1p89 s ARG 190 Cb -0.17 -1.99 0.13 0.00 -0.57 0.00 0.00 34.95 32.35 1p89 s ARG 190 CO 0.18 -0.17 0.33 0.42 -1.08 0.00 0.00 175.30 174.98 1p89 s ILE 191 N -2.62 3.79 0.00 4.99 -1.09 0.60 0.25 121.20 127.13 1p89 s ILE 191 Ca 0.39 -2.21 0.00 0.00 -2.23 0.00 0.00 60.65 56.60 1p89 s ILE 191 Cb 0.03 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1p89 s ILE 191 CO 0.22 -0.78 0.43 0.29 -1.23 0.00 0.00 174.94 173.87 1p89 n LYS 192 N 4.40 0.00 -1.81 2.79 5.02 0.21 -4.83 118.16 123.93 1p89 n LYS 192 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1p89 n LYS 192 Cb 0.41 -0.93 0.09 0.00 -0.02 0.00 0.00 35.03 34.57 1p89 n LYS 192 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1p89 s GLY 193 N 0.00 1.60 0.05 0.72 0.00 -1.26 -4.89 107.32 103.54 1p89 s GLY 193 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 1p89 s GLY 193 CO 0.00 -0.06 1.81 0.99 0.00 0.00 0.00 173.10 175.84 1p89 s ASP 194 N -4.40 6.51 0.54 1.64 1.11 -1.26 -3.03 116.67 117.78 1p89 s ASP 194 Ca 0.61 2.58 -0.21 0.00 0.18 0.00 0.00 52.55 55.71 1p89 s ASP 194 Cb -0.12 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 41.27 1p89 s ASP 194 CO 0.51 -0.98 1.19 -0.11 1.18 0.00 0.00 175.17 176.95 1p89 n LEU 195 N 6.62 4.51 -0.01 1.23 7.94 -1.26 -2.13 117.00 133.90 1p89 n LEU 195 Ca 0.18 0.94 0.09 0.00 -1.11 0.00 0.00 56.01 56.11 1p89 n LEU 195 Cb 0.41 -1.49 -0.13 0.00 0.53 0.00 0.00 43.42 42.74 1p89 n LEU 195 CO 0.65 -1.08 -0.69 0.55 -1.11 0.00 0.00 177.39 175.72 1p89 n VAL 196 N -1.11 0.00 -2.45 1.96 3.14 -1.19 -4.52 118.33 114.16 1p89 n VAL 196 Ca 0.11 -0.38 -0.18 0.00 -2.96 0.00 0.00 64.34 60.93 1p89 n VAL 196 Cb 0.44 0.13 0.02 0.00 -1.06 0.00 0.00 33.84 33.38 1p89 n VAL 196 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1p89 n SER 197 N -2.07 3.53 -0.19 6.55 7.64 -1.26 -4.92 113.62 122.89 1p89 n SER 197 Ca -0.03 -3.21 -0.06 0.00 1.01 0.00 0.00 58.87 56.58 1p89 n SER 197 Cb 0.44 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1p89 n SER 197 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p89 h LYS 198 N 2.56 -0.04 0.00 1.43 3.11 -1.96 0.40 116.57 122.07 1p89 h LYS 198 Ca 0.16 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1p89 h LYS 198 Cb 1.22 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1p89 h LYS 198 CO 0.63 -0.03 0.00 -1.00 -2.81 0.00 0.00 179.45 176.24 1p89 h PRO 199 N -0.04 0.00 0.00 1.90 0.13 -1.98 -2.25 132.00 129.75 1p89 h PRO 199 Ca 0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 1p89 h PRO 199 Cb 0.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1p89 h PRO 199 CO -0.46 0.00 -0.75 1.88 -0.23 0.00 0.00 178.00 178.45 1p89 h TYR 200 N 0.00 0.00 -0.06 1.56 -1.99 -0.78 -3.12 116.97 112.59 1p89 h TYR 200 Ca 0.00 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1p89 h TYR 200 Cb 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 1p89 h TYR 200 CO 0.00 0.75 -0.52 0.97 -0.00 0.00 0.00 178.16 179.36 1p89 h ILE 201 N 0.00 1.36 -0.34 -2.88 6.09 0.05 -2.50 117.51 119.29 1p89 h ILE 201 Ca -0.01 -1.78 -0.02 0.00 -1.37 0.00 0.00 64.86 61.69 1p89 h ILE 201 Cb 1.38 1.90 -0.02 0.00 0.47 0.00 0.00 36.82 40.54 1p89 h ILE 201 CO 0.10 0.52 0.14 0.44 -3.07 0.00 0.00 178.15 176.28 1p89 h ASP 202 N 0.12 0.42 0.18 2.19 5.19 -1.56 -0.37 116.42 122.59 1p89 h ASP 202 Ca 0.00 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.31 1p89 h ASP 202 Cb 0.95 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1p89 h ASP 202 CO 0.08 0.39 -0.27 0.40 -3.12 0.00 0.00 179.24 176.71 1p89 h ILE 203 N 0.48 1.23 0.27 0.35 2.04 -1.50 0.34 117.51 120.71 1p89 h ILE 203 Ca 0.12 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1p89 h ILE 203 Cb 0.09 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1p89 h ILE 203 CO -0.01 0.32 -0.13 0.74 0.00 0.00 0.00 178.15 179.07 1p89 h THR 204 N 0.14 0.74 -0.11 -0.27 2.02 -0.98 0.45 112.91 114.89 1p89 h THR 204 Ca 0.02 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 1p89 h THR 204 Cb 0.55 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1p89 h THR 204 CO 0.04 0.01 -0.67 -0.07 0.37 0.00 0.00 175.52 175.19 1p89 h LEU 205 N -0.37 0.53 -1.81 2.58 3.38 -1.38 -0.07 115.31 118.16 1p89 h LEU 205 Ca -0.04 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1p89 h LEU 205 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1p89 h LEU 205 CO 0.06 1.06 -0.14 -1.13 0.09 0.00 0.00 178.44 178.38 1p89 h ASN 206 N 0.33 0.00 0.21 -0.43 -0.73 -0.12 0.58 115.58 115.42 1p89 h ASN 206 Ca -0.02 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.82 1p89 h ASN 206 Cb 1.24 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.85 1p89 h ASN 206 CO 0.12 0.14 -1.53 -0.07 -0.37 0.00 0.00 177.43 175.72 1p89 h LEU 207 N 0.00 0.69 -0.67 0.34 -0.00 0.30 -3.01 115.31 112.96 1p89 h LEU 207 Ca -0.00 -0.93 -0.13 0.00 -0.00 0.00 0.00 57.88 56.82 1p89 h LEU 207 Cb 0.39 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1p89 h LEU 207 CO 0.02 1.71 -0.35 0.24 -0.00 0.00 0.00 178.44 180.05 1p89 h MET 208 N 0.04 0.64 -0.21 1.13 2.86 -0.34 -2.96 114.93 116.09 1p89 h MET 208 Ca -0.29 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.01 1p89 h MET 208 Cb 2.06 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.71 1p89 h MET 208 CO 0.21 0.90 -0.01 1.57 1.06 0.00 0.00 176.91 180.63 1p89 h LYS 209 N 0.53 0.37 -0.24 1.72 2.10 0.16 -0.29 116.57 120.93 1p89 h LYS 209 Ca 0.05 -0.13 0.07 0.00 -2.00 0.00 0.00 60.65 58.65 1p89 h LYS 209 Cb 0.86 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1p89 h LYS 209 CO 0.07 0.59 0.17 0.00 -2.00 0.00 0.00 179.45 178.28 1p89 h THR 210 N 0.12 0.85 0.18 0.07 1.03 -1.51 -2.14 112.91 111.52 1p89 h THR 210 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.45 1p89 h THR 210 Cb 0.43 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1p89 h THR 210 CO 0.01 0.00 -0.09 -0.26 -0.01 0.00 0.00 175.52 175.17 1p89 h PHE 211 N 0.00 -0.23 0.00 0.00 -1.00 -1.30 -3.42 116.94 110.99 1p89 h PHE 211 Ca 0.11 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1p89 h PHE 211 Cb 0.46 0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1p89 h PHE 211 CO 0.00 0.19 0.00 0.41 -1.61 0.00 0.00 178.31 177.30 1p89 n GLY 212 N 0.36 -0.19 3.36 -1.45 0.00 -0.66 -2.50 105.19 104.10 1p89 n GLY 212 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1p89 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p89 s VAL 213 N 0.00 2.35 0.08 1.61 1.01 -0.21 -4.76 120.40 120.48 1p89 s VAL 213 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1p89 s VAL 213 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1p89 s VAL 213 CO 0.00 0.58 -0.07 -1.61 0.00 0.00 0.00 175.10 174.00 1p89 s GLU 214 N -0.61 0.71 0.39 2.72 2.02 -1.26 -1.21 118.70 121.45 1p89 s GLU 214 Ca 0.09 -1.11 0.04 0.00 0.02 0.00 0.00 54.97 54.01 1p89 s GLU 214 Cb -0.10 -0.23 -0.04 0.00 0.10 0.00 0.00 34.13 33.86 1p89 s GLU 214 CO -0.00 0.01 0.10 0.96 0.02 0.00 0.00 175.26 176.34 1p89 s ILE 215 N -2.76 0.81 -0.17 -1.63 -5.25 -1.26 -4.37 121.20 106.57 1p89 s ILE 215 Ca 0.03 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.49 1p89 s ILE 215 Cb -0.01 -2.47 -0.03 0.00 2.95 0.00 0.00 42.46 42.91 1p89 s ILE 215 CO -0.03 0.00 0.59 -0.70 -1.79 0.00 0.00 174.94 173.01 1p89 s GLU 216 N -3.78 4.25 -0.52 0.37 2.12 0.47 -4.95 118.70 116.65 1p89 s GLU 216 Ca 0.26 0.57 -0.15 0.00 0.36 0.00 0.00 54.97 56.01 1p89 s GLU 216 Cb 0.04 -3.54 0.12 0.00 0.26 0.00 0.00 34.13 31.01 1p89 s GLU 216 CO 0.14 -0.13 0.46 1.21 -0.54 0.00 0.00 175.26 176.40 1p89 s ASN 217 N 1.07 6.13 0.65 -1.70 3.04 -1.26 -0.66 114.94 122.22 1p89 s ASN 217 Ca 0.28 -1.71 0.00 0.00 0.04 0.00 0.00 52.86 51.47 1p89 s ASN 217 Cb -0.16 -2.18 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1p89 s ASN 217 CO 0.11 -0.80 0.00 1.67 -3.04 0.00 0.00 177.10 175.04 1p89 n GLN 218 N 5.21 -0.46 -0.69 0.43 0.00 -0.83 -4.76 117.38 116.28 1p89 n GLN 218 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.80 1p89 n GLN 218 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.55 1p89 n GLN 218 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1p89 n HIS 219 N -1.92 0.00 -1.52 3.69 8.25 -1.26 -4.53 115.22 117.93 1p89 n HIS 219 Ca 0.00 -1.08 -0.18 0.00 -0.26 0.00 0.00 57.72 56.20 1p89 n HIS 219 Cb 0.00 -1.13 -0.08 0.00 1.12 0.00 0.00 29.99 29.90 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1p89 n TYR 220 N 2.38 -0.08 -0.01 4.41 4.01 -1.26 -4.74 117.16 121.86 1p89 n TYR 220 Ca 0.26 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.04 1p89 n TYR 220 Cb 0.64 -3.19 -0.08 0.00 -0.31 0.00 0.00 39.34 36.40 1p89 n TYR 220 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1p89 n GLN 221 N -2.07 0.63 -3.75 -0.72 6.02 -1.26 -4.79 117.38 111.44 1p89 n GLN 221 Ca -0.18 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.60 1p89 n GLN 221 Cb 0.62 -1.24 -0.11 0.00 1.02 0.00 0.00 30.24 30.53 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1p89 s GLN 222 N -2.64 0.42 -0.50 -1.09 -0.21 -1.26 0.22 119.66 114.61 1p89 s GLN 222 Ca -0.04 0.47 -0.03 0.00 0.02 0.00 0.00 55.36 55.78 1p89 s GLN 222 Cb 0.06 0.20 0.13 0.00 1.00 0.00 0.00 33.01 34.40 1p89 s GLN 222 CO 0.42 -0.05 0.31 -0.06 -2.12 0.00 0.00 175.29 173.79 1p89 s PHE 223 N 0.14 3.51 -0.45 0.91 0.40 1.04 -1.96 117.98 121.57 1p89 s PHE 223 Ca -0.00 -2.49 -0.29 0.00 -0.60 0.00 0.00 56.93 53.55 1p89 s PHE 223 Cb -0.03 -3.24 0.03 0.00 0.51 0.00 0.00 43.02 40.29 1p89 s PHE 223 CO 0.01 -0.93 1.10 0.08 0.70 0.00 0.00 175.22 176.19 1p89 s VAL 224 N 0.70 4.29 -0.38 -0.44 1.01 0.17 -1.86 120.40 123.89 1p89 s VAL 224 Ca 0.11 1.27 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 1p89 s VAL 224 Cb -0.22 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.61 1p89 s VAL 224 CO -0.04 -0.90 0.37 0.68 0.00 0.00 0.00 175.10 175.21 1p89 s VAL 225 N 4.24 5.17 -0.40 2.92 -7.23 0.28 0.18 120.40 125.56 1p89 s VAL 225 Ca 0.46 -0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 60.17 1p89 s VAL 225 Cb -0.08 -3.89 -0.06 0.00 0.56 0.00 0.00 36.38 32.91 1p89 s VAL 225 CO 0.28 -0.22 2.26 -0.54 -0.31 0.00 0.00 175.10 176.58 1p89 s LYS 226 N 1.98 2.57 0.85 4.82 3.01 -1.26 -1.37 119.74 130.34 1p89 s LYS 226 Ca 0.10 1.56 -0.12 0.00 -1.01 0.00 0.00 55.97 56.51 1p89 s LYS 226 Cb -0.17 -4.47 0.10 0.00 -1.01 0.00 0.00 37.83 32.28 1p89 s LYS 226 CO 0.12 -2.75 1.15 0.41 0.51 0.00 0.00 175.35 174.79 1p89 n GLY 227 N 5.86 -0.22 1.76 -3.33 0.00 -1.24 -3.42 105.19 104.60 1p89 n GLY 227 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1p89 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 228 N 0.50 0.63 3.71 -0.02 0.00 0.31 -4.65 105.19 105.66 1p89 n GLY 228 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1p89 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p89 s GLN 229 N -0.17 -0.78 -0.30 1.61 -1.52 0.35 -4.92 119.66 113.93 1p89 s GLN 229 Ca 0.00 -0.27 -0.06 0.00 -1.95 0.00 0.00 55.36 53.08 1p89 s GLN 229 Cb 0.00 -1.67 0.19 0.00 -0.22 0.00 0.00 33.01 31.31 1p89 s GLN 229 CO 0.00 -3.38 0.85 -1.12 -0.25 0.00 0.00 175.29 171.39 1p89 s SER 230 N -4.30 -0.90 0.38 5.90 0.01 -1.26 -4.26 113.70 109.27 1p89 s SER 230 Ca 0.73 0.38 -0.26 0.00 1.31 0.00 0.00 55.95 58.11 1p89 s SER 230 Cb -0.06 1.68 -0.11 0.00 0.21 0.00 0.00 66.02 67.73 1p89 s SER 230 CO 0.55 -0.17 1.14 -1.22 0.41 0.00 0.00 173.24 173.95 1p89 n TYR 231 N 5.38 1.69 -4.10 2.43 4.01 -1.25 -4.58 117.16 120.74 1p89 n TYR 231 Ca -0.00 0.56 -0.30 0.00 -0.16 0.00 0.00 57.90 58.00 1p89 n TYR 231 Cb 0.54 -2.31 -0.07 0.00 -0.31 0.00 0.00 39.34 37.18 1p89 n TYR 231 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1p89 s GLN 232 N -1.96 2.66 -0.64 -0.72 -0.21 -1.04 -0.03 119.66 117.72 1p89 s GLN 232 Ca 0.60 -0.78 -0.26 0.00 0.02 0.00 0.00 55.36 54.94 1p89 s GLN 232 Cb -0.57 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 1p89 s GLN 232 CO 0.59 0.55 1.95 0.45 -2.12 0.00 0.00 175.29 176.71 1p89 s SER 233 N -2.33 5.12 0.35 5.90 0.15 -1.18 -4.31 113.70 117.40 1p89 s SER 233 Ca 0.27 0.30 0.06 0.00 0.70 0.00 0.00 55.95 57.28 1p89 s SER 233 Cb -0.12 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.31 1p89 s SER 233 CO 0.19 -2.52 1.87 1.55 1.20 0.00 0.00 173.24 175.53 1p89 h PRO 234 N 15.04 0.39 0.00 5.44 0.13 -1.82 -3.49 132.00 147.69 1p89 h PRO 234 Ca -0.21 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1p89 h PRO 234 Cb 1.15 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1p89 h PRO 234 CO 1.21 0.50 0.00 0.41 -0.23 0.00 0.00 178.00 179.88 1p89 n GLY 235 N -0.79 0.88 3.58 1.56 0.00 -1.26 -4.96 105.19 104.19 1p89 n GLY 235 Ca 0.00 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1p89 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p89 s THR 236 N 0.00 5.15 -0.05 2.61 2.01 -1.26 0.12 115.64 124.22 1p89 s THR 236 Ca 0.00 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.41 1p89 s THR 236 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1p89 s THR 236 CO 0.00 0.01 -0.25 -0.47 -0.69 0.00 0.00 174.62 173.22 1p89 s TYR 237 N 2.10 2.43 -0.38 4.92 5.04 0.30 -4.91 117.35 126.84 1p89 s TYR 237 Ca 0.14 -0.68 -0.12 0.00 -2.44 0.00 0.00 57.07 53.97 1p89 s TYR 237 Cb -0.16 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.58 1p89 s TYR 237 CO 0.11 -0.19 0.24 -1.17 -1.34 0.00 0.00 175.55 173.20 1p89 s LEU 238 N -0.23 4.76 0.08 6.97 2.96 -1.26 -0.02 118.68 131.94 1p89 s LEU 238 Ca -0.02 -0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 52.77 1p89 s LEU 238 Cb -0.13 -2.08 -0.13 0.00 0.50 0.00 0.00 46.19 44.35 1p89 s LEU 238 CO 0.03 -0.37 1.46 0.58 -1.32 0.00 0.00 176.35 176.73 1p89 h VAL 239 N 5.71 0.00 0.00 1.68 2.07 -1.23 -3.46 116.25 121.02 1p89 h VAL 239 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1p89 h VAL 239 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1p89 h VAL 239 CO 0.68 0.00 0.00 1.21 0.02 0.00 0.00 177.57 179.48